5-[(4-ethylpiperazin-1-yl)methyl]-3-[6-[(3R)-3-methylpiperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole

C20H30N6O — CID 95100346

IUPAC5-[(4-ethylpiperazin-1-yl)methyl]-3-[6-[(3R)-3-methylpiperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
SMILESCCN1CCN(Cc2nc(-c3ccc(N4CCC[C@@H](C)C4)nc3)no2)CC1
InChIInChI=1S/C20H30N6O/c1-3-24-9-11-25(12-10-24)15-19-22-20(23-27-19)17-6-7-18(21-13-17)26-8-4-5-16(2)14-26/h6-7,13,16H,3-5,8-12,14-15H2,1-2H3/t16-/m1/s1
InChIKeyAUQADGIYPCLSFF-MRXNPFEDSA-N
MW370.50 g/mol
LogP2.51
Rot. Bonds5

About 5-[(4-ethylpiperazin-1-yl)methyl]-3-[6-[(3R)-3-methylpiperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole

5-[(4-ethylpiperazin-1-yl)methyl]-3-[6-[(3R)-3-methylpiperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole (PubChem CID 95100346) has the molecular formula C20H30N6O and a molecular weight of 370.50 g/mol. Its IUPAC name is 5-[(4-ethylpiperazin-1-yl)methyl]-3-[6-[(3R)-3-methylpiperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(4-ethylpiperazin-1-yl)methyl]-3-[6-[(3R)-3-methylpiperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
PubChem CID95100346
Molecular FormulaC20H30N6O
Molecular Weight370.50 g/mol
Exact Mass370.25
IUPAC Name5-[(4-ethylpiperazin-1-yl)methyl]-3-[6-[(3R)-3-methylpiperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
SMILESCCN1CCN(Cc2nc(-c3ccc(N4CCC[C@@H](C)C4)nc3)no2)CC1
InChIInChI=1S/C20H30N6O/c1-3-24-9-11-25(12-10-24)15-19-22-20(23-27-19)17-6-7-18(21-13-17)26-8-4-5-16(2)14-26/h6-7,13,16H,3-5,8-12,14-15H2,1-2H3/t16-/m1/s1
InChIKeyAUQADGIYPCLSFF-MRXNPFEDSA-N
XLogP2.51
TPSA61.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[(4-ethylpiperazin-1-yl)methyl]-3-[6-[(3R)-3-methylpiperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

3-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]-5-(thiomorpholin-4-ylmethyl)-1,2,4-oxadiazole
CID 53162684
5-[[(3R)-3-methylpiperidin-1-yl]methyl]-3-(6-thiomorpholin-4-yl-3-pyridinyl)-1,2,4-oxadiazole
CID 95100376
1-[[3-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 53162619
[1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 43927604
furan-2-yl-[4-[[3-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 53162637
4-[5-[5-[(4-benzylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine
CID 53162753
1-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidin-3-amine
CID 119918150
4-[5-[5-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine
CID 53162761
3-(4-tert-butylphenyl)-5-[[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 110278172
[1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 26773043
5-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 53037210
3-(4-chlorophenyl)-5-[[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
CID 27122901

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethylpiperazin-1-yl)methyl]-3-[6-[(3R)-3-methylpiperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[(4-ethylpiperazin-1-yl)methyl]-3-[6-[(3R)-3-methylpiperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole (CID 95100346) is 5-[(4-ethylpiperazin-1-yl)methyl]-3-[6-[(3R)-3-methylpiperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(4-ethylpiperazin-1-yl)methyl]-3-[6-[(3R)-3-methylpiperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[(4-ethylpiperazin-1-yl)methyl]-3-[6-[(3R)-3-methylpiperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole is CCN1CCN(Cc2nc(-c3ccc(N4CCC[C@@H](C)C4)nc3)no2)CC1.
What is the InChIKey of 5-[(4-ethylpiperazin-1-yl)methyl]-3-[6-[(3R)-3-methylpiperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole?
The InChIKey is AUQADGIYPCLSFF-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H30N6O/c1-3-24-9-11-25(12-10-24)15-19-22-20(23-27-19)17-6-7-18(21-13-17)26-8-4-5-16(2)14-26/h6-7,13,16H,3-5,8-12,14-15H2,1-2H3/t16-/m1/s1.
What are the key properties of 5-[(4-ethylpiperazin-1-yl)methyl]-3-[6-[(3R)-3-methylpiperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole?
5-[(4-ethylpiperazin-1-yl)methyl]-3-[6-[(3R)-3-methylpiperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole has a molecular weight of 370.50 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethylpiperazin-1-yl)methyl]-3-[6-[(3R)-3-methylpiperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole is sourced from PubChem (CID 95100346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).